Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for C₅H₆S (Thiophene, 3-methyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		208
	Energy 298.15K		204
	Atomization Enthalpy 298.15K	x	144	x
	Atomization Enthalpy 0K		143
	Entropy (298.15K)		147
	Entropy at any temperature		147
	Integrated Heat Capacity		147
	Heat Capacity (Cp)	x	147	x
	Nuclear Repulsion Energy		196
	HOMO-LUMO Energies		194
	Barriers to Internal Rotation		0
Geometries	Cartesians		180
	Internal Coordinates	x	179	x
	Products of moments of inertia		194
	Rotational Constants		199
	Point Group		199
Vibrations	Vibrational Frequencies	fun.	195	x
	Vibrational Intensities		205
	Zero-point energies		195
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		166
	Dipole		172
	Quadrupole		166
	Polarizability		157
Other results	Spin		0
	Number of basis functions		5
	Conformations		1